Artificial Intelligence-Directed Iterative Clustering for Lead Discovery in High Throughput Screening Data

4/10/98


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Table of Contents

Artificial Intelligence-Directed Iterative Clustering for Lead Discovery in High Throughput Screening Data

Large Data Sets from HTS

Clustering Applications for Lead Discovery

Clustering Strategy

Clustering Data

Clustering Algorithm

2D Self Organizing Maps

2D Self Organizing Maps

Clustering with MACCS-like Keys

Learning New Keys

Learning New Keys

Learning New Keys

Learned Keys are Exclusive Keys

Learned Keys in the MAO Data (XSMARTS)

Second Round Learned Keys

Third Round Learned Keys

Iterative Clustering

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Expert System

Author: Susan Hruska

Email: elling@bioreason.com

Home Page: www.bioreason.com

Other information:
Bioreason Inc.